4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol

C17H28N2O — CID 82979976

IUPAC4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol
SMILESCCC(C)N1CCN(C(CC)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-4-14(3)18-10-12-19(13-11-18)17(5-2)15-6-8-16(20)9-7-15/h6-9,14,17,20H,4-5,10-13H2,1-3H3
InChIKeyOEXLAENUSTXTRX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.26
Rot. Bonds5

About 4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol

4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol (PubChem CID 82979976) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol.

Molecular Properties

Compound Name4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol
PubChem CID82979976
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol
SMILESCCC(C)N1CCN(C(CC)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-4-14(3)18-10-12-19(13-11-18)17(5-2)15-6-8-16(20)9-7-15/h6-9,14,17,20H,4-5,10-13H2,1-3H3
InChIKeyOEXLAENUSTXTRX-UHFFFAOYSA-N
XLogP3.26
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 63595309
4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol
CID 82966219
4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
CID 20519340
4-[1-(3-aminoazetidin-1-yl)propyl]phenol
CID 65244836
4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol
CID 82983105
2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine
CID 62774987
4-[1-(3-methoxypiperidin-1-yl)propyl]phenol
CID 102969248
(2S)-1-[4-[(1R)-1-phenylpropyl]piperazin-1-yl]propan-2-ol
CID 95345707
4-[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]phenol
CID 82962513
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
CID 62774582
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188975
4-(2-amino-1-piperidin-1-ylethyl)phenol
CID 16796139

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol?
The IUPAC name of 4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol (CID 82979976) is 4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol.
What is the SMILES notation for 4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol?
The canonical SMILES for 4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol is CCC(C)N1CCN(C(CC)c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol?
The InChIKey is OEXLAENUSTXTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-14(3)18-10-12-19(13-11-18)17(5-2)15-6-8-16(20)9-7-15/h6-9,14,17,20H,4-5,10-13H2,1-3H3.
What are the key properties of 4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol?
4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol is sourced from PubChem (CID 82979976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).